2-[(3-nitro-4-propan-2-yl-phenyl)methylidene]-N,N'-bis(phenylmethyl)propanediamide

Systemtic Name: 2-[(3-nitro-4-propan-2-yl-phenyl)methylidene]-N,N'-bis(phenylmethyl)propanediamide Openeye Name: N,N'-dibenzyl-2-[(4-isopropyl-3-nitro-phenyl)methylene]propanediamide CAS Name: 2-[(3-nitro-4-propan-2-ylphenyl)methylidene]-N,N'-bis(phenylmethyl)propanediamide IUPAC Name: N,N'-dibenzyl-2-[(3-nitro-4-propan-2-ylphenyl)methylidene]propanediamide Traditional Name: N,N'-dibenzyl-2-(4-isopropyl-3-nitro-benzylidene)malonamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C=C(C(=O)NCC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)C=C(C(=O)NCC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H27N3O4/c1-19(2)23-14-13-22(16-25(23)30(33)34)15-24(26(31)28-17-20-9-5-3-6-10-20)27(32)29-18-21-11-7-4-8-12-21/h3-16,19H,17-18H2,1-2H3,(H,28,31)(H,29,32)